1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea

C17H18FN3O — CID 108906262

IUPAC1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
SMILESCN(C)c1ccc(NC(=O)N/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C17H18FN3O/c1-21(2)16-8-6-15(7-9-16)20-17(22)19-11-10-13-4-3-5-14(18)12-13/h3-12H,1-2H3,(H2,19,20,22)/b11-10+
InChIKeyFMFSLFYWVNAQHA-ZHACJKMWSA-N
MW299.35 g/mol
LogP3.68
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea

1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea (PubChem CID 108906262) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
PubChem CID108906262
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
SMILESCN(C)c1ccc(NC(=O)N/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C17H18FN3O/c1-21(2)16-8-6-15(7-9-16)20-17(22)19-11-10-13-4-3-5-14(18)12-13/h3-12H,1-2H3,(H2,19,20,22)/b11-10+
InChIKeyFMFSLFYWVNAQHA-ZHACJKMWSA-N
XLogP3.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906048
N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 78776344
1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906155
2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108906208
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108906051
ethyl 4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]benzoate
CID 108906070
1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903344
1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906166
1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905529
1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905550
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906142
1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905411

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea (CID 108906262) is 1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea is CN(C)c1ccc(NC(=O)N/C=C/c2cccc(F)c2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The InChIKey is FMFSLFYWVNAQHA-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-21(2)16-8-6-15(7-9-16)20-17(22)19-11-10-13-4-3-5-14(18)12-13/h3-12H,1-2H3,(H2,19,20,22)/b11-10+.
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea has a molecular weight of 299.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108906262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).